ethyl 2-[2-[7-butyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[7-butyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-2-[[2-(7-butyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanylacetyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[2-[(7-butyl-1,3-dimethyl-2,6-dioxo-8-purinyl)thio]-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-[[2-(7-butyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-2-[[2-[(7-butyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]acetyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H29N5O6S2 MolecularWeight: 535.63626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1SCC(=O)NC3=C(C(=C(S3)C(=O)C)C)C(=O)OCC)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCN1C2=C(N=C1SCC(=O)NC3=C(C(=C(S3)C(=O)C)C)C(=O)OCC)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C23H29N5O6S2/c1-7-9-10-28-16-18(26(5)23(33)27(6)20(16)31)25-22(28)35-11-14(30)24-19-15(21(32)34-8-2)12(3)17(36-19)13(4)29/h7-11H2,1-6H3,(H,24,30)